SCHEMBL4673597

SCHEMBL4673597

O=C(C=C(O)c1nn[nH]n1)c1nc(Cc2ccccc2F)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PTGER1 P34995 1/20 0.33
CES1 P23141 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
ELOVL1 Q9BW60 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMEL1 Q495T6 1/20 0.31
ADORA2A P29274 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MPO P05164 1/20 0.30
AR P10275 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4671624 0.86 CES1 (0.40) PTGER1CES1NCEH1ERCC5FEN1
SCHEMBL4675277 0.84 PTGER1 (0.37) LMNAHPGDMEN1KMT2ARXFP1
SCHEMBL4675553 0.84 LMNA (0.36) LMNACES1NCEH1KDM4EMMEL1
SCHEMBL4676495 0.83 CES1 (0.33) MEN1KMT2APTGER1CES1NCEH1
SCHEMBL4679142 0.82 HCAR2 (0.38) PTGER1CES1NCEH1PTGDR2KDM4E
SCHEMBL4675174 0.82 SLC40A1 (0.37) LMNAMEN1KMT2ARXFP1PTGER1
SCHEMBL4677726 0.81 CES1 (0.32) CES1NCEH1
SCHEMBL4673446 0.80 CES1 (0.35) LMNAHPGDMEN1KMT2ARXFP1
SCHEMBL4680230 0.80 PTGDR2 (0.36) HPGDMEN1KMT2ARXFP1PTGER1
SCHEMBL4673450 0.80 PTGDR2 (0.35) HPGDMEN1KMT2ARXFP1CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 LMNA 659/4885HPGD 2816/4885MEN1 4663/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.